%chk=000194117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194117

0 1
Br 6.425790 -1.609275 -0.159182
O -4.585167 -2.486704 0.319415
O 3.772769 1.785669 0.799827
O 2.667031 -2.824807 -0.347963
N 3.605688 -0.771535 0.153842
C -2.854779 0.652159 0.287190
C -2.882462 -0.798107 0.856109
C -2.340271 0.768467 -1.167152
C -1.097021 -0.102358 -1.465734
C -1.737436 -1.705054 0.390829
C -4.339734 1.108680 0.350114
C -1.414917 -1.561092 -1.094541
C -2.014741 2.230321 -1.528856
C -4.265368 -1.329016 0.415947
C -5.186456 -0.153008 0.132833
C 0.162647 0.443993 -0.828555
C -2.900287 -0.768538 2.395282
C -0.842396 2.785870 -0.712428
C 0.280883 1.805222 -0.511647
C 1.256016 -0.416169 -0.615312
C 1.482378 2.298994 0.037757
C 2.453632 0.051022 -0.076168
C 2.548164 1.436804 0.255311
C 3.624774 -2.154823 -0.005927
C 4.013147 3.186307 1.071449
C 4.963991 -2.802724 0.291020
H -2.220157 1.285140 0.944417
H -3.155226 0.414166 -1.848538
H -0.918139 -0.066477 -2.575754
H -1.996081 -2.761615 0.615667
H -0.826047 -1.479929 0.983009
H -4.565726 1.884354 -0.398855
H -4.557654 1.562547 1.332211
H -0.560510 -2.220429 -1.353949
H -2.264463 -1.923425 -1.706041
H -2.905766 2.869266 -1.382389
H -1.775781 2.290453 -2.609104
H -5.578506 -0.219016 -0.898284
H -6.074462 -0.186803 0.787436
H -1.966405 -0.353404 2.791670
H -3.722127 -0.161848 2.789338
H -3.008548 -1.779672 2.808553
H -1.205857 3.112679 0.286431
H -0.457630 3.703131 -1.204719
H 1.161374 -1.480970 -0.877424
H 1.561134 3.352814 0.286952
H 4.425080 -0.255946 0.505530
H 3.945361 3.769819 0.148594
H 5.042840 3.166349 1.451547
H 3.318843 3.547058 1.835925
H 5.042545 -3.085847 1.358049
H 5.069131 -3.735393 -0.301932


%chk=000194117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194117

0 1
Br 6.599175 -1.567596 0.986988
O -4.714793 -2.478861 0.293380
O 3.882344 1.799686 0.651787
O 2.879149 -2.908087 -0.510538
N 3.636488 -0.766179 0.116423
C -2.879229 0.659139 0.336923
C -2.960193 -0.806936 0.879779
C -2.375556 0.762428 -1.138070
C -1.148075 -0.142602 -1.445500
C -1.822037 -1.750954 0.429151
C -4.355306 1.171184 0.450500
C -1.483923 -1.607941 -1.066740
C -2.035648 2.219476 -1.541278
C -4.353322 -1.281789 0.400018
C -5.232258 -0.057127 0.095373
C 0.149755 0.410583 -0.830979
C -3.026953 -0.807467 2.441294
C -0.857819 2.785065 -0.717180
C 0.289996 1.795230 -0.537746
C 1.257907 -0.451645 -0.621126
C 1.526401 2.286085 -0.039327
C 2.484567 0.032864 -0.124610
C 2.613802 1.423565 0.167648
C 3.775214 -2.116718 -0.072218
C 4.101453 3.209962 0.973451
C 5.120044 -2.771131 0.264099
H -2.206839 1.247081 0.988849
H -3.194469 0.406900 -1.800138
H -1.010634 -0.115624 -2.549712
H -2.131082 -2.790750 0.648574
H -0.918542 -1.541691 1.034143
H -4.550096 2.028686 -0.216692
H -4.568333 1.510030 1.480440
H -0.659374 -2.293795 -1.332541
H -2.353703 -1.927921 -1.675470
H -2.914855 2.882308 -1.429282
H -1.767715 2.225342 -2.616685
H -5.493865 -0.086198 -0.980240
H -6.186479 -0.116944 0.648409
H -2.091370 -0.381493 2.848626
H -3.873298 -0.215544 2.834580
H -3.132486 -1.841671 2.814966
H -1.220259 3.097225 0.284567
H -0.479856 3.709692 -1.196118
H 1.186902 -1.517453 -0.842724
H 1.619787 3.355380 0.179949
H 4.447651 -0.246777 0.477636
H 3.972559 3.845745 0.076637
H 5.141035 3.269364 1.326923
H 3.413295 3.546287 1.772546
H 4.966129 -3.539225 1.036710
H 5.537809 -3.231888 -0.643652


